This study examines how building space, materials, and structure affect the microclimate of Liu Tong Xinglongzhuang in central Anhui, known for its hot, humid climate and distinct architecture. Using qualitative and quantitative methods, including field monitoring, PHOENICS simulation, and Ladybug Tools, the following conclusions were drawn: (1) Building materials: wood reduces indoor temperature; a glass roof over the patio lowers temperature and improves wind speed; and reducing tile area decreases solar radiation. (2) Building space: optimal comfort in stairwells is achieved with a length-to-width ratio of 1.5:1 and height-to-width ratio of 2:1; courtyards are most comfortable with a length-to-width ratio of 2.5:1 and height-to-width ratio of 1.5:1; walk-through halls are optimal with a length-to-width ratio of 2:1 and height-to-width ratio of 1.5:1; and wings achieve the highest comfort with a length-to-width ratio of 2.5:1 and height-to-width ratio of 1.5:1. (3) Building structure: optimal wind speed and temperature are achieved with specific window height-to-width ratios of 1:1 for exterior and 1.5:1 for interior windows; the lowest temperatures occur at 2:1 ratios; hexagonal exterior and circular interior windows maximize wind speed and temperature reduction; and smaller exterior door openings lower indoor temperatures and are best achieved with an interior door ratio of 2:1. These findings offer valuable data and methods for optimizing the microclimate of traditional houses, with significant practical implications.